5SB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAN | doub | 1.21Å | 1.23Å | |
CAN | CAA | sing | 1.51Å | 1.53Å | |
CAN | NAL | sing | 1.35Å | 1.35Å | |
CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAE | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAH | NAJ | sing | 1.35Å | 1.33Å | Aromatic |
CAH | CAO | doub | 1.37Å | 1.33Å | Aromatic |
NAL | CAP | sing | 1.40Å | 1.34Å | |
CAP | CAS | doub | 1.41Å | 1.39Å | Aromatic |
NAJ | NAM | sing | 1.40Å | 1.23Å | Aromatic |
CAQ | CAO | sing | 1.48Å | 1.35Å | |
CAQ | CAR | doub | 1.41Å | 1.40Å | Aromatic |
CAO | CAI | sing | 1.41Å | 1.33Å | Aromatic |
CAS | CAR | sing | 1.42Å | 1.40Å | Aromatic |
CAS | NAK | sing | 1.34Å | 1.34Å | Aromatic |
NAM | CAI | doub | 1.31Å | 1.34Å | Aromatic |
CAR | CAG | sing | 1.41Å | 1.39Å | Aromatic |
NAK | CAD | doub | 1.31Å | 1.40Å | Aromatic |
CAG | CAC | doub | 1.37Å | 1.39Å | Aromatic |
CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
NAL | H4 | sing | 0.97Å | 1.00Å | |
CAE | H5 | sing | 1.08Å | 1.08Å | |
CAF | H6 | sing | 1.08Å | 1.08Å | |
CAD | H7 | sing | 1.08Å | 1.08Å | |
CAC | H8 | sing | 1.08Å | 1.08Å | |
CAG | H9 | sing | 1.08Å | 1.08Å | |
CAH | H10 | sing | 1.08Å | 1.08Å | |
NAJ | H11 | sing | 0.97Å | 1.00Å | |
CAI | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAN | CAA | 119.4° | 120.0° |
OAB | CAN | NAL | 127.0° | 120.0° |
CAA | CAN | NAL | 113.5° | 120.0° |
CAN | CAA | H1 | 109.5° | 109.5° |
CAN | CAA | H2 | 109.5° | 109.5° |
CAN | CAA | H3 | 109.5° | 109.5° |
CAN | NAL | CAP | 124.6° | 120.0° |
CAN | NAL | H4 | 117.7° | 120.0° |
CAF | CAE | CAP | 119.4° | 121.0° |
CAE | CAF | CAQ | 121.8° | 120.7° |
CAF | CAE | H5 | 120.3° | 119.5° |
CAE | CAF | H6 | 119.1° | 119.7° |
CAE | CAP | NAL | 126.3° | 120.0° |
CAE | CAP | CAS | 119.4° | 119.9° |
CAP | CAE | H5 | 120.3° | 119.5° |
CAF | CAQ | CAO | 117.9° | 120.3° |
CAF | CAQ | CAR | 118.4° | 119.5° |
CAQ | CAF | H6 | 119.1° | 119.6° |
NAJ | CAH | CAO | 106.7° | 107.6° |
CAH | NAJ | NAM | 109.7° | 108.3° |
NAJ | CAH | H10 | 126.6° | 126.3° |
CAH | NAJ | H11 | 125.1° | 125.9° |
CAH | CAO | CAQ | 123.7° | 126.2° |
CAH | CAO | CAI | 107.2° | 107.5° |
CAO | CAH | H10 | 126.6° | 126.2° |
NAL | CAP | CAS | 114.2° | 120.0° |
CAP | NAL | H4 | 117.7° | 120.0° |
CAP | CAS | CAR | 121.1° | 119.2° |
CAP | CAS | NAK | 118.1° | 121.0° |
NAJ | NAM | CAI | 109.9° | 108.5° |
NAM | NAJ | H11 | 125.1° | 125.8° |
CAO | CAQ | CAR | 123.7° | 120.2° |
CAQ | CAO | CAI | 129.1° | 126.2° |
CAQ | CAR | CAS | 119.8° | 119.7° |
CAQ | CAR | CAG | 121.6° | 121.3° |
CAO | CAI | NAM | 106.5° | 108.1° |
CAO | CAI | H12 | 126.8° | 126.0° |
CAR | CAS | NAK | 120.7° | 119.8° |
CAS | CAR | CAG | 118.6° | 119.1° |
CAS | NAK | CAD | 121.2° | 121.3° |
NAM | CAI | H12 | 126.8° | 125.9° |
CAR | CAG | CAC | 121.0° | 118.1° |
CAR | CAG | H9 | 119.5° | 120.9° |
NAK | CAD | CAC | 119.3° | 121.7° |
NAK | CAD | H7 | 120.3° | 119.1° |
CAG | CAC | CAD | 119.2° | 119.9° |
CAG | CAC | H8 | 120.4° | 120.0° |
CAC | CAG | H9 | 119.5° | 120.9° |
CAC | CAD | H7 | 120.3° | 119.2° |
CAD | CAC | H8 | 120.4° | 120.1° |
H1 | CAA | H2 | 109.5° | 109.5° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAN | CAA | NAL | 177.6° | 180.0° |
OAB | CAN | NAL | CAP | 6.2° | 4.6° |
OAB | CAN | CAA | H1 | 0.0° | 180.0° |
OAB | CAN | CAA | H2 | 120.0° | 60.0° |
OAB | CAN | CAA | H3 | 120.0° | 60.0° |
OAB | CAN | NAL | H4 | 173.8° | 175.4° |
CAA | CAN | NAL | CAP | 176.5° | 175.5° |
CAN | CAA | H1 | H2 | 120.0° | 120.0° |
CAN | CAA | H1 | H3 | 120.0° | 120.0° |
CAN | CAA | H2 | H3 | 120.0° | 120.0° |
CAA | CAN | NAL | H4 | 3.5° | 4.5° |
CAN | NAL | CAP | CAE | 15.7° | 34.8° |
CAN | NAL | CAP | H4 | 180.0° | 180.0° |
CAN | NAL | CAP | CAS | 168.3° | 145.4° |
NAL | CAN | CAA | H1 | 177.6° | 0.0° |
NAL | CAN | CAA | H2 | 62.4° | 120.0° |
NAL | CAN | CAA | H3 | 57.6° | 120.0° |
CAF | CAE | CAP | H5 | 180.0° | 180.0° |
CAE | CAF | CAQ | H6 | 180.0° | 180.0° |
CAF | CAE | CAP | NAL | 177.4° | 180.0° |
CAF | CAE | CAP | CAS | 1.6° | 0.2° |
CAE | CAF | CAQ | CAO | 179.3° | 180.0° |
CAE | CAF | CAQ | CAR | 0.8° | 0.3° |
CAP | CAE | CAF | CAQ | 0.2° | 0.0° |
CAE | CAP | NAL | CAS | 176.0° | 179.8° |
CAE | CAP | CAS | CAR | 1.9° | 0.2° |
CAE | CAP | CAS | NAK | 179.2° | 179.7° |
CAE | CAP | NAL | H4 | 164.3° | 145.2° |
CAP | CAE | CAF | H6 | 179.8° | 180.0° |
CAF | CAQ | CAO | CAH | 45.0° | 49.7° |
CAF | CAQ | CAO | CAR | 178.4° | 179.8° |
CAF | CAQ | CAO | CAI | 134.4° | 129.9° |
CAF | CAQ | CAR | CAS | 0.6° | 0.3° |
CAF | CAQ | CAR | CAG | 179.2° | 179.8° |
CAQ | CAF | CAE | H5 | 179.8° | 180.0° |
NAJ | CAH | CAO | H10 | 180.0° | 180.0° |
CAH | NAJ | NAM | H11 | 180.0° | 180.0° |
NAJ | CAH | CAO | CAQ | 179.9° | 179.9° |
NAJ | CAH | CAO | CAI | 0.4° | 0.3° |
CAH | NAJ | NAM | CAI | 0.2° | 0.3° |
CAO | CAH | NAJ | NAM | 0.1° | 0.0° |
CAH | CAO | CAQ | CAI | 179.4° | 179.6° |
CAH | CAO | CAQ | CAR | 133.4° | 130.6° |
CAH | CAO | CAI | NAM | 0.5° | 0.5° |
CAO | CAH | NAJ | H11 | 179.8° | 180.0° |
CAH | CAO | CAI | H12 | 179.5° | 179.8° |
NAL | CAP | CAS | CAR | 178.2° | 179.9° |
NAL | CAP | CAS | NAK | 2.9° | 0.0° |
NAL | CAP | CAE | H5 | 2.6° | 0.0° |
CAP | CAS | CAR | CAQ | 0.8° | 0.1° |
CAP | CAS | CAR | NAK | 178.9° | 179.9° |
CAP | CAS | CAR | CAG | 179.5° | 180.0° |
CAP | CAS | NAK | CAD | 179.4° | 180.0° |
CAS | CAP | NAL | H4 | 11.7° | 34.6° |
CAS | CAP | CAE | H5 | 178.4° | 179.8° |
NAJ | NAM | CAI | CAO | 0.4° | 0.5° |
NAM | NAJ | CAH | H10 | 179.9° | 180.0° |
NAJ | NAM | CAI | H12 | 179.6° | 179.7° |
CAO | CAQ | CAR | CAS | 178.9° | 179.9° |
CAQ | CAO | CAI | NAM | 180.0° | 179.9° |
CAO | CAQ | CAR | CAG | 0.8° | 0.0° |
CAO | CAQ | CAF | H6 | 0.7° | 0.1° |
CAQ | CAO | CAH | H10 | 0.1° | 0.1° |
CAQ | CAO | CAI | H12 | 0.0° | 0.1° |
CAR | CAQ | CAO | CAI | 47.2° | 49.8° |
CAQ | CAR | CAS | CAG | 179.7° | 179.9° |
CAQ | CAR | CAS | NAK | 179.6° | 180.0° |
CAQ | CAR | CAG | CAC | 179.7° | 179.9° |
CAR | CAQ | CAF | H6 | 179.2° | 179.7° |
CAQ | CAR | CAG | H9 | 0.3° | 0.1° |
CAO | CAI | NAM | H12 | 180.0° | 179.8° |
CAI | CAO | CAH | H10 | 179.6° | 179.8° |
CAR | CAS | NAK | CAD | 0.5° | 0.1° |
CAS | CAR | CAG | CAC | 0.5° | 0.0° |
CAS | CAR | CAG | H9 | 179.4° | 180.0° |
NAK | CAS | CAR | CAG | 0.6° | 0.1° |
CAS | NAK | CAD | CAC | 0.3° | 0.1° |
CAS | NAK | CAD | H7 | 179.7° | 180.0° |
CAI | NAM | NAJ | H11 | 179.8° | 179.7° |
CAR | CAG | CAC | H9 | 180.0° | 180.0° |
CAR | CAG | CAC | CAD | 0.3° | 0.0° |
CAR | CAG | CAC | H8 | 179.7° | 179.9° |
NAK | CAD | CAC | CAG | 0.2° | 0.0° |
NAK | CAD | CAC | H7 | 180.0° | 180.0° |
NAK | CAD | CAC | H8 | 179.8° | 179.9° |
CAG | CAC | CAD | H8 | 180.0° | 179.9° |
CAG | CAC | CAD | H7 | 179.8° | 180.0° |
CAD | CAC | CAG | H9 | 179.7° | 180.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H5 | CAE | CAF | H6 | 0.3° | 0.1° |
H7 | CAD | CAC | H8 | 0.2° | 0.1° |
H8 | CAC | CAG | H9 | 0.3° | 0.1° |
H10 | CAH | NAJ | H11 | 0.1° | 0.0° |